| SpectraBase Spectrum ID |
6NsFtD5p8qi |
| Name |
Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.198365456 u |
| Formula |
C14H26O |
| InChI |
InChI=1S/C14H26O/c1-11(2)14(10-15)8-6-12(7-9-14)13(3,4)5/h10-12H,6-9H2,1-5H3/t12-,14- |
| InChIKey |
LEQRMJNKIFWSLN-MQMHXKEQSA-N |
| Molecular Weight |
210.361 g/mol |
| SMILES |
[C@]1(CC[C@@](C(C)(C)C)(CC1)[H])(C=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87056 |
